F12Li4Zr2
F12Li4Zr2 is a thermodynamically stable, insulating fluoride compound composed of lithium, zirconium, and fluorine.
About F12Li4Zr2
F12Li4Zr2 is a complex fluoride compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, supported by multiple structural reports across research databases. Its stability suggests potential for long-term performance in specialized environments where insulating properties are critical. The material serves as an important subject for understanding the structural diversity of lithium-zirconium-fluoride systems, offering insights into how these elements arrange to maintain energetic favorability. Its status as a stable compound makes it a significant candidate for further investigation in materials science research.
Key Properties
Cross-validated computational properties for F12Li4Zr2, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Frequently Asked Questions
Common questions about F12Li4Zr2, answered from cross-validated data.
What is F12Li4Zr2?
F12Li4Zr2 is a thermodynamically stable, insulating fluoride compound composed of lithium, zirconium, and fluorine.
What is the band gap of F12Li4Zr2?
Is F12Li4Zr2 a metal, semiconductor, or insulator?
Is F12Li4Zr2 thermodynamically stable?
How many polymorphs of F12Li4Zr2 are known?
What elements does F12Li4Zr2 contain?
Where does the data for F12Li4Zr2 come from?
How It Compares
As a unique fluoride phase, F12Li4Zr2 occupies a distinct position within the lithium-zirconium-fluorine landscape. Without direct structural siblings in this specific class, it stands as a primary reference point for studying the interplay between alkali metal cations and transition metal fluoride frameworks, providing a benchmark for stability in complex halide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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